SCHEMBL9000682

SCHEMBL9000682

CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)C1CCC(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.40
▸ TRPV1 Q8NER1 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ SOAT2 O75908 1/20 0.33
▸ RBP4 P02753 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9000803 0.86 SOAT1 (0.37) SOAT1
SCHEMBL9000614 0.84 SOAT1 (0.38) SOAT1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9000515 0.80 SOAT1 (0.36) SOAT1HPGDKDM4E
SCHEMBL9000583 0.78 KDM1A (0.37) SOAT1ALDH1A1HPGDKDM4E
SCHEMBL9001010 0.74 SOAT1 (0.43) SOAT1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9000419 0.74 SOAT1 (0.41) SOAT1RAB9A
SCHEMBL9000550 0.71 SORT1 (0.40) SOAT1
SCHEMBL9008215 0.71 SOAT1 (0.41) SOAT1ALDH1A1
SCHEMBL9000766 0.70 SOAT1 (0.38) SOAT1HPGD
SCHEMBL9000743 0.70 SOAT1 (0.38) SOAT1RAB9ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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